Materials Data on AlPO4 by Materials Project
Abstract
AlPO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with eight equivalent PO6 octahedra and edges with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There is four shorter (1.83 Å) and two longer (2.01 Å) Al–O bond length. P5+ is bonded to six O2- atoms to form PO6 octahedra that share corners with eight equivalent AlO6 octahedra and edges with two equivalent PO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There is two shorter (1.68 Å) and four longer (1.77 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two equivalent P5+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-603719
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; AlPO4; Al-O-P
- OSTI Identifier:
- 1277367
- DOI:
- https://doi.org/10.17188/1277367
Citation Formats
The Materials Project. Materials Data on AlPO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277367.
The Materials Project. Materials Data on AlPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1277367
The Materials Project. 2020.
"Materials Data on AlPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1277367. https://www.osti.gov/servlets/purl/1277367. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1277367,
title = {Materials Data on AlPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {AlPO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with eight equivalent PO6 octahedra and edges with two equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There is four shorter (1.83 Å) and two longer (2.01 Å) Al–O bond length. P5+ is bonded to six O2- atoms to form PO6 octahedra that share corners with eight equivalent AlO6 octahedra and edges with two equivalent PO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There is two shorter (1.68 Å) and four longer (1.77 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two equivalent P5+ atoms.},
doi = {10.17188/1277367},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}